3-Amino-4-fluorobenzonitrile

Basic Information

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CAS Number

859855-53-1

Molecular Formula

C7H5FN2

Molecular Weight

136.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Flash Point

122.6℃

SMILES

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Nc1cc(C#N)ccc1F

InChI

InChI=1S/C7H5FN2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,10H2

InChIKey

BHMZMZOMQYFFQL-UHFFFAOYSA-N

LogP

1.86078

Safety Information

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Hazard Statement

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

3-Amino-4-fluorobenzonitrile
3-amino-4-chloro-benzonitrile
3-amino-4-fluorobenzenecarbonitrile
3-Amino-4-fluoro-benzonitrile
5-Cyano-2-fluoroaniline
3-amino-4-fluorobenzonitrile

MDL Number

MFCD07787428

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 3-Amino-4-fluorobenzonitrile (CAS: 859855-53-1)?

3-Amino-4-fluorobenzonitrile (CAS: 859855-53-1) falls under the regulatory guidelines of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes hazard communication, storage, and disposal. In the European Union, it is regulated under REACH (Registration, Evaluation, Authorisation, and Restriction of Chemicals) for the registration of chemical substances. The U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) also have specific regulations for the handling, storage, and disposal of this compound.

Are there alternatives to 3-Amino-4-fluorobenzonitrile (CAS: 859855-53-1) in synthesis?

While 3-Amino-4-fluorobenzonitrile (CAS: 859855-53-1) is a specific compound, there are alternative reagents and analogs that can be used in synthesis, such as other amino or fluoro-substituted benzonitriles. These alternatives can offer similar functional groups but with different substituents, providing flexibility in synthetic routes. Commonly used alternatives include 4-fluorobenzonitrile and various amino benzonitriles with different substituents.

What is the market or research trend for 3-Amino-4-fluorobenzonitrile (CAS: 859855-53-1)?

The market for 3-Amino-4-fluorobenzonitrile (CAS: 859855-53-1) is driven by its use in pharmaceuticals, agrochemicals, and other organic synthesis applications. Research trends indicate a focus on developing more sustainable and efficient synthetic routes, as well as exploring its potential in new applications. Market trends show a steady demand, with price stability and a growing interest in its use in developing novel chemical entities.

How should waste containing 3-Amino-4-fluorobenzonitrile (CAS: 859855-53-1) be handled?

Waste containing 3-Amino-4-fluorobenzonitrile (CAS: 859855-53-1) should be collected in appropriate, leak-proof containers and stored in a well-ventilated area away from direct sunlight and sources of ignition. It is advisable to neutralize any acidic or basic components before disposal. For professional disposal, consider incineration or other safe waste management practices. Always consult the Material Safety Data Sheet (MSDS) for specific disposal instructions and local regulations.